4B1B
Crystal structure of Plasmodium falciparum oxidised Thioredoxin Reductase at 2.9 angstrom
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.187, 109.242, 182.414 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.910 - 2.900 |
| R-factor | 0.26642 |
| Rwork | 0.265 |
| R-free | 0.28805 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zkq |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.392 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.670 | 3.070 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.190 | 0.760 |
| Number of reflections | 27908 | |
| <I/σ(I)> | 9.23 | 2.02 |
| Completeness [%] | 96.7 | 92.7 |
| Redundancy | 5.1 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 16% (W/V) PEG 4000, 0.1 M TRIS/HCL, PH 8.5, 0.2 M SODIUM ACETATE |
